Chemical Properties of Butanoic acid, 4-(2,4-dichlorophenoxy)- (CAS 94-82-6)

InChI

InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)

InChI Key

YIVXMZJTEQBPQO-UHFFFAOYSA-N

Formula

C10H10Cl2O3

SMILES

O=C(O)CCCOc1ccc(Cl)cc1Cl

Molecular Weight¹

249.09

CAS

94-82-6

Other Names

• (2,4-Dichlorophenoxy)butyric acid
• .gamma.-(2,4-dichlorophenoxy)butyric acid
• 2,4-D butyric acid
• 2,4-DB
• 2,4-DM
• 4-(2,4-DB)
• 4-(2,4-dichlorophenoxy)butanoic acid
• 4-(2,4-dichlorophenoxy)butyric acid
• Buratal
• Butirex
• Butormone
• Butoxon
• Butoxone
• Butoxone ester
• Butyrac
• Butyrac 118
• Butyrac 200
• Butyrac ester
• Campbell's db straight
• Kyselina 4-(2,4-dichlorfenoxy)maselna
• Legumex
• Legumex D
• NSC 70337
• Sys 67 Buratal
• Venceweed
• butyric acid, 4-(2,4-dichlorophenoxy)-
• «gamma»-(2,4-Dichlorophenoxy)butyric acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.64	kJ/mol	Joback Calculated Property
ΔsubH°	[124.00; 149.00]	kJ/mol
ΔsubH°	124.00 ± 6.00	kJ/mol	NIST
ΔsubH°	149.00 ± 2.00	kJ/mol	NIST
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-3.67		Aq. Solubility Prediction
logPoct/wat	3.237		Crippen Calculated Property
McVol	165.790	ml/mol	McGowan Calculated Property
Inp	[1869.00; 1869.00]
Inp	1869.00		NIST
Inp	1869.00		NIST
Tboil	593.15	K	Relay (1.0) Calculated Property
Tfus	[390.90; 393.20]	K
Tfus	393.20	K	Standard Sublimation Enthalpies of some dichlorophenoxy acids and their methyl esters
Tfus	391.49 ± 0.20	K	NIST
Tfus	390.90 ± 0.20	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[396.47; 446.08]	J/mol×K	[707.83; 933.16]
Cp,gas	396.47	J/mol×K	707.83	Joback Calculated Property
Cp,gas	406.44	J/mol×K	745.38	Joback Calculated Property
Cp,gas	415.70	J/mol×K	782.94	Joback Calculated Property
Cp,gas	424.27	J/mol×K	820.49	Joback Calculated Property
Cp,gas	432.17	J/mol×K	858.05	Joback Calculated Property
Cp,gas	439.44	J/mol×K	895.60	Joback Calculated Property
Cp,gas	446.08	J/mol×K	933.16	Joback Calculated Property
η	[0.0001464; 0.0006256]	Pa×s	[496.59; 707.83]
η	0.0006256	Pa×s	496.59	Joback Calculated Property
η	0.0004533	Pa×s	531.80	Joback Calculated Property
η	0.0003419	Pa×s	567.00	Joback Calculated Property
η	0.0002665	Pa×s	602.21	Joback Calculated Property
η	0.0002135	Pa×s	637.42	Joback Calculated Property
η	0.0001751	Pa×s	672.62	Joback Calculated Property
η	0.0001464	Pa×s	707.83	Joback Calculated Property
ΔfusH	[35.00; 38.42]	kJ/mol	[391.40; 395.50]
ΔfusH	38.42	kJ/mol	391.40	NIST
ΔfusH	35.00	kJ/mol	395.50	NIST
ΔsubH	146.00 ± 1.00	kJ/mol	373.50	NIST

Similar Compounds

Find more compounds similar to Butanoic acid, 4-(2,4-dichlorophenoxy)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Standard Sublimation Enthalpies of some dichlorophenoxy acids and their methyl esters
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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